arXiv subjects

Bela Bauer

Publications and source records attributed to Bela Bauer.

60 records · Page 4Linked to original sources

arXiv2012

Comment on "Topological quantum phase transitions of attractive spinless fermions in a honeycomb lattice" by Poletti D. et al

In a recent letter [D. Poletti et al., EPL 93, 37008 (2011)] a model of attractive spinless fermions on the honeycomb lattice at half filling has been studied by mean-field theory, where distinct homogenous phases at rather large attraction strength $V>3.36$, separated by (topological) phase transitions, have been predicted. In this comment we argue that without additional interactions the ground states in these phases are not stable against phase separation. We determine the onset of phase separation at half filling $V_{ps}\approx 1.7$ by means of infinite projected entangled-pair states (iPEPS) and exact diagonalization.

cond-mat.str-el↗

arXiv2012

Three-sublattice order in the SU(3) Heisenberg model on the square and triangular lattice

We present a numerical study of the SU(3) Heisenberg model of three-flavor fermions on the triangular and square lattice by means of the density-matrix renormalization group (DMRG) and infinite projected entangled-pair states (iPEPS). For the triangular lattice we confirm that the ground state has a three-sublattice order with a finite ordered moment which is compatible with the result from linear flavor wave theory (LFWT). The same type of order has recently been predicted also for the square lattice [PRL 105, 265301 (2010)] from LFWT and exact diagonalization. However, for this case the ordered moment cannot be computed based on LFWT due to divergent fluctuations. Our numerical study clearly supports this three-sublattice order, with an ordered moment of m=0.2-0.4 in the thermodynamic limit.

cond-mat.str-el↗

arXiv2010

Complete-Graph Tensor Network States: A New Fermionic Wave Function Ansatz for Molecules

We present a new class of tensor network states that are specifically designed to capture the electron correlation of a molecule of arbitrary structure. In this ansatz, the electronic wave function is represented by a Complete-Graph Tensor Network (CGTN) ansatz which implements an efficient reduction of the number of variational parameters by breaking down the complexity of the high-dimensional coefficient tensor of a full-configuration-interaction (FCI) wave function. We demonstrate that CGTN states approximate ground states of molecules accurately by comparison of the CGTN and FCI expansion coefficients. The CGTN parametrization is not biased towards any reference configuration in contrast to many standard quantum chemical methods. This feature allows one to obtain accurate relative energies between CGTN states which is central to molecular physics and chemistry. We discuss the implications for quantum chemistry and focus on the spin-state problem. Our CGTN approach is applied to the energy splitting of states of different spin for methylene and the strongly correlated ozone molecule at a transition state structure. The parameters of the tensor network ansatz are variationally optimized by means of a parallel-tempering Monte Carlo algorithm.

physics.chem-ph↗

arXiv2010

Simulation of strongly correlated fermions in two spatial dimensions with fermionic Projected Entangled-Pair States

We explain how to implement, in the context of projected entangled-pair states (PEPS), the general procedure of fermionization of a tensor network introduced in [P. Corboz, G. Vidal, Phys. Rev. B 80, 165129 (2009)]. The resulting fermionic PEPS, similar to previous proposals, can be used to study the ground state of interacting fermions on a two-dimensional lattice. As in the bosonic case, the cost of simulations depends on the amount of entanglement in the ground state and not directly on the strength of interactions. The present formulation of fermionic PEPS leads to a straightforward numerical implementation that allowed us to recycle much of the code for bosonic PEPS. We demonstrate that fermionic PEPS are a useful variational ansatz for interacting fermion systems by computing approximations to the ground state of several models on an infinite lattice. For a model of interacting spinless fermions, ground state energies lower than Hartree-Fock results are obtained, shifting the boundary between the metal and charge-density wave phases. For the t-J model, energies comparable with those of a specialized Gutzwiller-projected ansatz are also obtained.

cond-mat.str-el↗

arXiv2010

Optimized broad-histogram simulations for strong first-order phase transitions: Droplet transitions in the large-Q Potts model

The numerical simulation of strongly first-order phase transitions has remained a notoriously difficult problem even for classical systems due to the exponentially suppressed (thermal) equilibration in the vicinity of such a transition. In the absence of efficient update techniques, a common approach to improve equilibration in Monte Carlo simulations is to broaden the sampled statistical ensemble beyond the bimodal distribution of the canonical ensemble. Here we show how a recently developed feedback algorithm can systematically optimize such broad-histogram ensembles and significantly speed up equilibration in comparison with other extended ensemble techniques such as flat-histogram, multicanonical or Wang-Landau sampling. As a prototypical example of a strong first-order transition we simulate the two-dimensional Potts model with up to Q=250 different states on large systems. The optimized histogram develops a distinct multipeak structure, thereby resolving entropic barriers and their associated phase transitions in the phase coexistence region such as droplet nucleation and annihilation or droplet-strip transitions for systems with periodic boundary conditions. We characterize the efficiency of the optimized histogram sampling by measuring round-trip times tau(N,Q) across the phase transition for samples of size N spins. While we find power-law scaling of tau vs. N for small Q \lesssim 50 and N \lesssim 40^2, we observe a crossover to exponential scaling for larger Q. These results demonstrate that despite the ensemble optimization broad-histogram simulations cannot fully eliminate the supercritical slowing down at strongly first-order transitions.

cond-mat.stat-mech↗

arXiv2009

Assessing the accuracy of projected entangled-pair states on infinite lattices

Generalizations of the density-matrix renormalization group method have long been sought after. In this paper, we assess the accuracy of projected entangled-pair states on infinite lattices by comparing with Quantum Monte Carlo results for several non-frustrated spin-1/2 systems. Furthermore, we apply the method to a frustrated quantum system.

cond-mat.str-el↗